1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea

C15H23N5OS — CID 72858144

IUPAC1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CN(CCN(C)C)C(=O)Nc2cnn(C)c2)s1
InChIInChI=1S/C15H23N5OS/c1-12-5-6-14(22-12)11-20(8-7-18(2)3)15(21)17-13-9-16-19(4)10-13/h5-6,9-10H,7-8,11H2,1-4H3,(H,17,21)
InChIKeySQIKKPLVPIMYKI-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.39
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea

1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea (PubChem CID 72858144) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea
PubChem CID72858144
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea
SMILESCc1ccc(CN(CCN(C)C)C(=O)Nc2cnn(C)c2)s1
InChIInChI=1S/C15H23N5OS/c1-12-5-6-14(22-12)11-20(8-7-18(2)3)15(21)17-13-9-16-19(4)10-13/h5-6,9-10H,7-8,11H2,1-4H3,(H,17,21)
InChIKeySQIKKPLVPIMYKI-UHFFFAOYSA-N
XLogP2.39
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(3-Cyanophenyl)methyl]pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3387984
1-[1-(4-Cyanobutyl)pyrazol-4-yl]-3-(2-thiophen-2-ylethyl)urea
CID 3860221
N-(1-methylpyrazol-4-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide
CID 32608156
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 45810582
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-3-pyrazol-1-ylpropanamide
CID 45811751
1-[2-(Dimethylamino)-2-thiophen-2-ylethyl]-3-(1-ethylpyrazol-4-yl)urea
CID 45821374
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(2-thiophen-3-ylethyl)urea
CID 45828490
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 45831191
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 45831685
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45831713
N-(1-pyrazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45831716
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 45831812

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea (CID 72858144) is 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea is Cc1ccc(CN(CCN(C)C)C(=O)Nc2cnn(C)c2)s1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea?
The InChIKey is SQIKKPLVPIMYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-12-5-6-14(22-12)11-20(8-7-18(2)3)15(21)17-13-9-16-19(4)10-13/h5-6,9-10H,7-8,11H2,1-4H3,(H,17,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea?
1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea has a molecular weight of 321.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(1-methylpyrazol-4-yl)-1-[(5-methylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 72858144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).